Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)-
TL;DR: Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)- (CAS 75682-23-4) is a chemical compound with molecular formula C22H26NO3PS2 and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,6R)-4-(2-dimethoxyphosphinothioylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol
Also Known As: Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)-, (2S,3R,4R,6R)-4-(2-dimethoxyphosphinothioylsulfanylethynyl)-3-methyl-2,6-diphenyl-piperidin-4-ol, (2S,3R,4S,6R)-4-(2-dimethoxyphosphinothioylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol, S-{[(2S,3R,4S,6R)-4-Hydroxy-3-methyl-2,6-diphenylpiperidin-4-yl]ethynyl} O,O-dimethyl phosphorodithioate, RefChem:371195
| Molecular Formula | C22H26NO3PS2 |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 5.0409 |
| Topological Polar Surface Area | 50.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.10916 |
| Heavy Atoms | 29 |
| Complexity | 907.90466 |
Chemical Identifiers
| CAS Number | 75682-23-4 |
|---|---|
| SMILES | C[C@@H]1[C@H](N[C@H](C[C@]1(C#CSP(=S)(OC)OC)O)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)- (CAS 75682-23-4), with molecular formula C22H26NO3PS2 and molecular weight 447.11 g/mol. IUPAC: (2S,3R,4S,6R)-4-(2-dimethoxyphosphinothioylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol.
Chemical Property Profile of Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)-
Property Insights of Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)-
The XLogP value of 5.0409 indicates that Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.72 Ų, Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)-?
The CAS number of Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)- is 75682-23-4.
What is the molecular formula of Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)-?
The molecular formula of Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)- is C22H26NO3PS2.
What is the molecular weight of Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)-?
The molecular weight of Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)- is 447.11 g/mol.
Where can I buy Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)-?
You can request a quote for Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethynyl) O,O-dimethyl ester, (2-alpha,3-beta,4-alpha,6-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.